Module net_ensembles::sampling[][src]

Expand description

For sampling ensembles

  • contains Simple sampling, WangLandau, entropic sampling, Metropolis, Histograms
  • This is just for compatibility reasons, everything was moved into its own crate, which you can find at crates.io/crates/sampling

Modules

Bootstrap resampling functions

For using entropic sampling after a wang landau simulation

Contains examples

Glue together overlapping intervals of either entropic sampling or wang landau

Generate heatmaps. Create Gnuplot scripts to plot said heatmaps

Traits for implementing histograms for Wang Landau or entropic sampling. Contains histogram implementations for all primitive numbers

For making a Metropolis simulation

Entropic sampling using a replica exchange approach

Replica exchange wang-landau

Contains traits useful for sampling an ensemble like MarkovChain or Metropolis etc.

Wang Landau Implementation

Structs

RGB value

Entropic sampling made easy

Entropic sampling made easy

Glued together probability

Defines gnuplot point

Settings for gnuplot

Heatmap

Heatmap with mean of y-axis

Heatmap

Heatmap with mean of y-axis

Faster version of HistogramInt for Integers

Generic Histogram struct

Generic Histogram for integer types

Create a metropolis simulation

A color palette in RGB space

Walker for Replica exchange entropic sampling

Struct used for entropic sampling with replica exchanges

Efficient replica exchange Wang landau

Use this to create a replica exchange wang landau simulation

Walker for Replica exchange Wang Landau

The 1/t Wang Landau approach comes from this paper

Adaptive WangLandau 1/t

Enums

Error states, that entropic sampling, or the creation of EntropicSamplingAdaptive could encounter

Possible errors that can occur during gluing together WangLandau intervals or Entropic Sampling intervals

For labeling the gnuplot plots axis

defines presets for different color palettes

Options for choosing gnuplot Terminal

Errors of Heatmap

Possible Errors of the traits Histogram and HistogramVal

Errors encountered during Metropolis Algorithm

Errors encountered during the creation of a Rewl struct (Replica exchange Wang Landau)

List of possible errors

Look at the paper

Traits

Traits for quantities that all Entropic simulations have

Helper trait, so that you have to type less

trait to request the current energy from a Entropic simulation

trait to request a reference to the current (state of the) ensemble

trait to request the current histogram from a Entropic simulation

Access internal random number generator

Helper trait for efficient calculations in other implementations

Implements histogram

Used to get a histogram, which contains the smaller histograms

Distance metric for how far a value is from a valid interval

Your Interval is to large to sample in a resonable amound of time? No problem

  • trait used for mapping values of arbitrary type T to bins
  • used to create a histogram
  • Trait for comparing two intervals

    Create a markov chain by doing markov steps

    For easy sampling of your ensemble

    Traits for quantities that all Wang Landau simulations have

    Helper trait, so that you have to type less

    trait to request the current energy from a WangLandau simulation

    trait to request a reference to the current (state of the) ensemble

    trait to request the current histogram from a WangLandau simulation

    Functions

    returns reduced value + estimated error (as sqrt of variance). Note, that you can use bootstrap_copyable if your N1 implements Copy

    Similar to bootstrap but for stuff that implements Copy. Likely more effient in these cases returns reduced value + estimated error (as sqrt of variance)

    Combine multiple WangLandau intervals to get the probability distribution of the whole interval

    Combine multiple WangLandau intervals to get the probability distribution of the whole interval

    Get index of heatmap corresponding to a coordinate

    Results of the simulation

    Results of the simulation

    Merge probability density of multiple rees simulations

    Normalize log10 probability density

    Type Definitions

    Result of glueing

    Result of glueing. See Glued

    Shorthand for HeatmapUsize

    Histogram for binning f32 - alias for HistogramFloat<f32>

    Histogram for binning f64 - alias for HistogramFloat<f64>

    Histogram for binning i8 - alias for HistogramIntiu8>

    Histogram for binning i8 - alias for HistogramFastiu8>

    Histogram for binning i16 - alias for HistogramInt<i16>

    Histogram for binning i16 - alias for HistogramFast<i16>

    Histogram for binning i32 - alias for HistogramInt<i32>

    Histogram for binning i32 - alias for HistogramFast<i32>

    Histogram for binning i64 - alias for HistogramInt<i64>

    Histogram for binning i64 - alias for HistogramFast<i64>

    Histogram for binning i128 - alias for HistogramInt<i128>

    Histogram for binning i128 - alias for HistogramFast<i128>

    Histogram for binning isize - alias for HistogramInt<isize>

    Histogram for binning isize - alias for HistogramFast<isize>

    Histogram for binning u8 - alias for HistogramInt<u8>

    Histogram for binning u8 - alias for HistogramFast<u8>

    Histogram for binning u16 - alias for HistogramInt<u16>

    Histogram for binning u16 - alias for HistogramFast<u16>

    Histogram for binning u32 - alias for HistogramInt<u32>

    Histogram for binning u32 - alias for HistogramFast<u32>

    Histogram for binning u64 - alias for HistogramInt<u64>

    Histogram for binning u64 - alias for HistogramFast<u64>

    Histogram for binning u128 - alias for HistogramInt<u128>

    Histogram for binning u128 - alias for HistogramFast<u128>

    Histogram for binning usize - alias for HistogramInt<usize>

    Histogram for binning usize- alias for HistogramFast<usize>

    short for Metropolis<E, R, S, Res, f32>

    short for Metropolis<E, R, S, Res, f64>

    short for Metropolis<E, R, S, Res, i8>

    short for Metropolis<E, R, S, Res, i16>

    short for Metropolis<E, R, S, Res, i32>

    short for Metropolis<E, R, S, Res, i64>

    short for Metropolis<E, R, S, Res, i128>

    short for Metropolis<E, R, S, Res, isize>

    short for Metropolis<E, R, S, Res, u8>

    short for Metropolis<E, R, S, Res, u16>

    short for Metropolis<E, R, S, Res, u32>

    short for Metropolis<E, R, S, Res, u64>

    short for Metropolis<E, R, S, Res, u128>

    short for Metropolis<E, R, S, Res, usize>

    Short for ReplicaExchangeWangLandau, which you can look at for citations

    Short for ReplicaExchangeWangLandauBuilder